4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

C22H26N4O4 — CID 24623627

IUPAC4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N4O4/c1-2-29-20-11-7-6-10-19(20)24-21(27)16-30-25-18-12-14-26(15-13-18)22(28)23-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,28)(H,24,27)
InChIKeyWEXJMFXFISYQHG-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.72
Rot. Bonds7

About 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (PubChem CID 24623627) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
PubChem CID24623627
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N4O4/c1-2-29-20-11-7-6-10-19(20)24-21(27)16-30-25-18-12-14-26(15-13-18)22(28)23-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,28)(H,24,27)
InChIKeyWEXJMFXFISYQHG-UHFFFAOYSA-N
XLogP3.72
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18206718
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623661
4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18209184
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
4-(2-oxo-2-piperidin-1-ylethoxy)imino-N-phenylpiperidine-1-carboxamide
CID 24623645
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (CID 24623627) is 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is CCOc1ccccc1NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The InChIKey is WEXJMFXFISYQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-2-29-20-11-7-6-10-19(20)24-21(27)16-30-25-18-12-14-26(15-13-18)22(28)23-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 24623627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).